(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

C13H10BrClOS — CID 43805092

IUPAC(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C13H10BrClOS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3
InChIKeyOOCFQDLQHJTKCT-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.01
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 43805092) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID43805092
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C13H10BrClOS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3
InChIKeyOOCFQDLQHJTKCT-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
2-[(4-bromo-2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616323
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 43805092) is (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(Br)cc2Cl)c(C)s1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is OOCFQDLQHJTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-7-5-11(8(2)17-7)13(16)10-4-3-9(14)6-12(10)15/h3-6H,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 329.65 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 43805092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).